D051-0231 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)benzamide

D051-0231 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)benzamide
D051-0231 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0231
4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D051-0231

Molecular Formula

C16H16ClNO4S (C16 H16 ClNO4 S)

Compound Name

4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)benzamide

IUPAC name

4-chloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(furan-2-yl)methyl]benzamide

SMILES

O=C(c(cc1)ccc1Cl)N(Cc1ccco1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C16H16ClNO4S/c17-13-5-3-12(4-6-13)16(19)18(10-15-2-1-8-22-15)14-7-9-23(20,21)11-14/h1-6,8,14H,7,9-11H2/t14-/m0/s1

InChI Key

RGTGJRNXFGLNQZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04162681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.84

Polar Surface Area

51.608

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D051-0231 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D051-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0231?
Check Price and Availability of D051-0231, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D051-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0231
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D051-0231 available by request